Added two new functions

productOrder
   getActivityConcentrations

Cantera/src/kinetics/InterfaceKinetics.cpp

@@ -296,6 +296,17 @@ namespace Cantera {
   }
 
 
+  // Get the vector of activity concentrations used in the kinetics object
+  /*
+   *  @param conc  (output) Vector of activity concentrations. Length is 
+   *               equal to the number of species in the kinetics object
+   */
+  void InterfaceKinetics::getActivityConcentrations(doublereal * const conc) {
+    _update_rates_C();
+    copy(m_conc.begin(), m_conc.end(), conc);
+  }
+
+
   /**
    * Update the equilibrium constants in molar units for all
    * reversible reactions. Irreversible reactions have their 

Cantera/src/kinetics/InterfaceKinetics.h

@@ -324,6 +324,13 @@ namespace Cantera {
       return m_index[i].first;
     }
 
+    //! Get the vector of activity concentrations used in the kinetics object
+    /*!
+     *  @param conc  (output) Vector of activity concentrations. Length is 
+     *               equal to the number of species in the kinetics object
+     */
+    virtual void getActivityConcentrations(doublereal * const conc);
+
     //! Return the charge transfer rxn Beta parameter for the ith reaction
     /*!
      *  Returns the beta parameter for a charge transfer reaction. This 

Cantera/src/kinetics/Kinetics.h

@@ -654,8 +654,10 @@ namespace Cantera {
       return -1.0;
     }
 
-    /**
-     * reactant Order of species k in reaction i.  
+    //! Reactant order of species k in reaction i.  
+    /*!
+     * This is the nominal order of the activity concentration in
+     * determining the forward rate of progress of the reaction
      *
      * @param k   kinetic species index
      * @param i   reaction index
@@ -665,6 +667,30 @@ namespace Cantera {
       return -1.0;
     }
 
+    //! product Order of species k in reaction i.  
+    /*!
+     * This is the nominal order of the activity concentration of species k in
+     * determining the reverse rate of progress of the reaction i
+     *
+     * For irreversible reactions, this will all be zero.
+     *
+     * @param k   kinetic species index
+     * @param i   reaction index
+     */
+    virtual doublereal productOrder(int k, int i) const {
+      err("productOrder");
+      return -1.0;
+    }
+
+    //! Get the vector of activity concentrations used in the kinetics object
+    /*!
+     *  @param conc  (output) Vector of activity concentrations. Length is 
+     *               equal to the number of species in the kinetics object
+     */
+    virtual void getActivityConcentrations(doublereal * const conc) {
+      err("getActivityConcentrations");
+    }
+
     /**
      * Returns a read-only reference to the vector of reactant
      * index numbers for reaction i.

Cantera/src/kinetics/ReactionStoichMgr.h

@@ -26,8 +26,8 @@ namespace Cantera {
    * user programs.
    * 
    * Class ReactionStoichMgr handles the calculation of quantities involving 
-   * the stoichiometry of a set of reactions. The reactions must have integer 
-   * stoichiometric coefficients. Specifically, its methods compute
+   * the stoichiometry of a set of reactions. The reactions may have integer 
+   * or non-integer stoichiometric coefficients. Specifically, its methods compute
    * - species creation rates
    * - species destruction rates
    * - species net production rates
@@ -97,7 +97,7 @@ namespace Cantera {
      * @param reversible true if the reaction is reversible, false otherwise
      */
     virtual void add(int rxn, const vector_int& reactants, const vector_int& products,
-	     bool reversible); 
+                     bool reversible); 
 
     /**
      * Add a reaction with specified, possibly non-integral, reaction orders. 
@@ -112,11 +112,7 @@ namespace Cantera {
      * species with index in the corresponding location in 'reactants.'
      *
      */
-      //    void add(int rxn, const vector_int& reactants, const vector_int& products,
-      //	     bool reversible, const vector_fp& fwdOrder);
-
-
-      virtual void add(int rxn, const ReactionData& r);
+    virtual void add(int rxn, const ReactionData& r);
 
     /**
      * Species creation rates. 
@@ -144,7 +140,7 @@ namespace Cantera {
      * Note that the stoichiometric coefficient matrices are very sparse, integer
      * matrices. 
      */
-     virtual void getDestructionRates(int nSpecies, 
+    virtual void getDestructionRates(int nSpecies, 
 			     const doublereal* fwdRatesOfProgress, 
 			     const doublereal* revRatesOfProgress, 
 			     doublereal* destructionRates);
@@ -164,7 +160,7 @@ namespace Cantera {
      *  W = (N_r - N_p) Q_{\rm net},
      * \f]
      */
-      virtual void getNetProductionRates(int nsp, const doublereal* ropnet, doublereal* w);
+    virtual void getNetProductionRates(int nsp, const doublereal* ropnet, doublereal* w);
 
 
 
@@ -205,7 +201,7 @@ namespace Cantera {
      * calculating reveerse rate coefficients from thermochemistry
      * for reversible reactions.
      */
-      virtual void getRevReactionDelta(int nr, const doublereal* g, doublereal* dg);
+    virtual void getRevReactionDelta(int nr, const doublereal* g, doublereal* dg);
 
 
     /** 
@@ -217,7 +213,7 @@ namespace Cantera {
      *
      * Here \f$ o_{k,i} \f$ is the reaction order of species k in reaction i.
      */
-      virtual void multiplyReactants(const doublereal* C, doublereal* R);
+    virtual void multiplyReactants(const doublereal* C, doublereal* R);
 
 
     /** 
@@ -229,7 +225,7 @@ namespace Cantera {
      * Here \f$ \nu^{(p)}_{k,i} \f$ is the product stoichiometric coefficient
      * of species k in reaction i.
      */
-        virtual void multiplyRevProducts(const doublereal* c, doublereal* r);
+      virtual void multiplyRevProducts(const doublereal* c, doublereal* r);
 
       virtual void write(std::string filename);